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78318-00-0 | 3-phenyl-1,2,3,4-tetrahydroisoquinoline
CAS No: 78318-00-0 Catalog No: AG01AKOC MDL No:MFCD08444667
Product Description
Catalog Number:
AG01AKOC
Chemical Name:
3-phenyl-1,2,3,4-tetrahydroisoquinoline
CAS Number:
78318-00-0
Molecular Formula:
C15H15N
Molecular Weight:
209.2863
MDL Number:
MFCD08444667
IUPAC Name:
3-phenyl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C15H15N/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15/h1-9,15-16H,10-11H2
InChI Key:
RFLDHZLAQOBNRW-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1NCc2c(C1)cccc2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.12g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.292g/mol
Monoisotopic Mass:
209.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| A synthesis of 3-phenyl-1,2,3,4-tetrahydroisoquinoline and 2-phenyl-1,2,4,5-tetrahydro-3H-3-benzazepine via Pummerer-type cyclization: enhancing effect of boron trifluoride diethyl etherate on the cyclization. | Chemical & pharmaceutical bulletin 20010801 |
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